Basic information
- CAS
52943-14-3- Standard SMILES
CN1CCN(c2ncccc2C#N)CC1- InChIKey
HZIUSLVQWZDMIE-UHFFFAOYSA-N- Molecular formula
- C11H14N4
- Average molar mass
- 202.26 g/mol
- Monoisotopic mass
- 202.12184646
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 2-(4-methyl-1-piperazinyl)-
- IUPAC
- 2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
- English name
- 2-(4-Methylpiperazin-1-yl)nicotinonitrile
- Molecular formula
- C11H14N4
- Molecular weight
- 202.26
Names & synonyms
52943-14-3BRN 0615192(Methyl-4 piperazinyl)-2 nicotinonitrile [French]3-Pyridinecarbonitrile, 2-(4-methyl-1-piperazinyl)-Nicotinonitrile, 2-(4-methyl-1-piperazinyl)-(Methyl-4 piperazinyl)-2 nicotinonitrile2-(4-Methyl-1-piperazinyl)-3-pyridinecarbonitrile5-23-03-00127 (Beilstein Handbook Reference)DTXSID00200982RefChem:282050DTXCID301234732-(4-methylpiperazin-1-yl)nicotinonitrile
Show more names
2-(4-methyl-1-piperazinyl)nicotinonitrile(SALTDATA: FREE)
2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile2-(4-methyl-1-piperazinyl)nicotinonitrileMFCD01692398SCHEMBL2076147SCHEMBL2076150SCHEMBL30607591ALBB-004822STK501331
Database identifiers
- CAS
52943-14-3- PubChem CID
- 819367
- DTXSID
DTXSID00200982
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 358.7 · 358.7±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 6.9 · 6.90±0.42(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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